Methanol → [3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-acetic acid

HRID 118564Notes

Reaction equation

HRID 118564 reaction equation
[CH3:1][CH:2]([C:3](=[O:4])[O-:5])[n:6]1[n:7][c:8](-[c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[n:9]([CH2:12][CH:13]([C:14]([F:15])([F:16])[F:17])[OH:18])[c:10]1=[O:11].[CH3:28][OH:29].[Li+:26].[OH-:27].[OH2:30]>>[CH2:2]([C:3](=[O:4])[OH:5])[n:6]1[n:7][c:8](-[c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[n:9]([CH2:12][CH:13]([C:14]([F:15])([F:16])[F:17])[OH:18])[c:10]1=[O:11]

Participants

6

Reactant 5

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 28486Lithium ionHCID 178460541HCID 178460541, compound

Product 1

HCID 58011686[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-acetic acid

Sources & evidence

ORD record
ord-eddb46a145ad483f9c6a9ed2e28583ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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